2-(4-tert-butylphenyl)-7-fluoranyl-5-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-7-fluoranyl-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-fluoro-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-fluoro-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-fluoro-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-fluoro-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H21FN4 MolecularWeight: 372.438043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CN=CC=C4

InChI

InChI=1S/C23H21FN4/c1-23(2,3)17-8-6-15(7-9-17)22-26-20-11-10-18(24)13-19(20)21(27-28-22)16-5-4-12-25-14-16/h4-14,27H,1-3H3